chempirical

Saccharin

C7H5NO3SCAS 81-07-2183.18 g/mol

Open in Covalent MOL file
OSOHNO

Properties

Molecular formula
C7H5NO3S
Molar mass
183.18 g/mol
Exact mass
182.9990 Da
Density
0.83 g/mL
Melting point
228.8–229.7 °C
logP
0.69Crippen estimate
Polar surface area
66.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
81-07-2
SMILES
O=S1(=O)N=C(O)c2ccccc21
InChIKey
CVHZOJJKTDOEJC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

38 names · show all
  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide
  • 1,2-Benzisothiazolin-3-one, 1,1-dioxide
  • Anhydro-o-sulfaminebenzoic acid
  • Benzoic sulfimide
  • Benzoic sulphinide
  • Benzosulfimide
  • o-Benzosulfimide
  • o-Benzoyl sulfimide
  • 1,2-Dihydro-2-ketobenzisosulfonazole
  • 2,3-Dihydro-3-oxobenzisosulfonazole
  • Garantose
  • Glucid
  • Gluside
  • Saccharin acid
  • 550 Saccharine
  • Saccharin insoluble
  • Saccharinol
  • Saccharinose
  • Saccharol
  • o-Sulfobenzimide
  • o-Sulfobenzoic acid imide
  • Benzosulfinide
  • o-Benzoic sulfimide
  • Saccharine
  • 3-Hydroxybenzisothiazole-S,S-dioxide
  • 3-Benzisothiazolinone 1,1-dioxide
  • Saccharimide
  • o-Benzoic acid sulfimide
  • 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one
  • 2,3-Dihydro-1,2-benzisothiazol-3-one-1,1-dioxide
  • NSC 5349
  • 1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole
  • 1,1-Dioxo-1,2-benzothiazol-3-one
  • Necta sweet
  • Sucram
  • 1,1-Dioxo-1,2-dihydro-1λ*6*-benzo[d]isothiazol-3-one
  • 2,3-Dihydro-1λ6,2-benzothiazole-1,1,3-trione
  • Benzo[d]isothiazol-3(2H)-one-1,1-dioxide

Work with Saccharin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Denatonium saccharide90823-38-446 % similar Probenazole27605-76-145 % similar Sulfabenzamide127-71-945 % similar Phthalimide85-41-641 % similar 2-Sulfobenzoic acid632-25-739 % similar Ammonium o-carboxybenzenesulfonate6939-89-537 % similar Isoindolinone480-91-136 % similar Phthalanilic acid4727-29-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzenesulfonyl isocyanate2845-62-7

Elsewhere

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